2-butanoyl-3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenyl-cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenyl-cyclohex-2-en-1-one Openeye Name: 2-butanoyl-3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenyl-cyclohex-2-en-1-one CAS Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-2-(1-oxobutyl)-5-phenyl-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenylcyclohex-2-en-1-one Traditional Name: 2-butyryl-3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenyl-cyclohex-2-en-1-one Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OCC)OCC

InChI

InChI=1S/C28H35NO4/c1-4-10-24(30)28-23(18-22(19-25(28)31)21-11-8-7-9-12-21)29-16-15-20-13-14-26(32-5-2)27(17-20)33-6-3/h7-9,11-14,17,22,29H,4-6,10,15-16,18-19H2,1-3H3